4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole

C48H28N4OS — CID 167129015

IUPAC4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc6ccccc6c5)n4)c3s2)cc1
InChIInChI=1S/C48H28N4OS/c1-2-12-33(13-3-1)48-49-39-28-41-42(38-16-8-9-17-40(38)53-41)43(44(39)54-48)47-51-45(50-46(52-47)37-25-21-30-11-5-7-15-35(30)27-37)32-22-18-31(19-23-32)36-24-20-29-10-4-6-14-34(29)26-36/h1-28H
InChIKeyLIJNRDDPYFKLFU-UHFFFAOYSA-N
MW708.85 g/mol
LogP13.02
Rot. Bonds5

About 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole

4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole (PubChem CID 167129015) has the molecular formula C48H28N4OS and a molecular weight of 708.85 g/mol. Its IUPAC name is 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
PubChem CID167129015
Molecular FormulaC48H28N4OS
Molecular Weight708.85 g/mol
Exact Mass708.20
IUPAC Name4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc6ccccc6c5)n4)c3s2)cc1
InChIInChI=1S/C48H28N4OS/c1-2-12-33(13-3-1)48-49-39-28-41-42(38-16-8-9-17-40(38)53-41)43(44(39)54-48)47-51-45(50-46(52-47)37-25-21-30-11-5-7-15-35(30)27-37)32-22-18-31(19-23-32)36-24-20-29-10-4-6-14-34(29)26-36/h1-28H
InChIKeyLIJNRDDPYFKLFU-UHFFFAOYSA-N
XLogP13.02
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.85
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole with MolForge

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Related Compounds

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127665
2-naphthalen-2-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129012
2-naphthalen-2-yl-4-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130165
4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171456477
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167128572
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127566
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128431
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The IUPAC name of 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole (CID 167129015) is 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The canonical SMILES for 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole is c1ccc(-c2nc3cc4oc5ccccc5c4c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc6ccccc6c5)n4)c3s2)cc1.
What is the InChIKey of 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The InChIKey is LIJNRDDPYFKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4OS/c1-2-12-33(13-3-1)48-49-39-28-41-42(38-16-8-9-17-40(38)53-41)43(44(39)54-48)47-51-45(50-46(52-47)37-25-21-30-11-5-7-15-35(30)27-37)32-22-18-31(19-23-32)36-24-20-29-10-4-6-14-34(29)26-36/h1-28H.
What are the key properties of 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole has a molecular weight of 708.85 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 167129015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).